4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide

C19H20N6O4 — CID 55601488

IUPAC4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)cc1OC
InChIInChI=1S/C19H20N6O4/c1-3-29-16-9-6-14(11-17(16)28-2)19(27)22-21-18(26)10-13-4-7-15(8-5-13)25-12-20-23-24-25/h4-9,11-12H,3,10H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyJXYRZCFZLGIFNV-UHFFFAOYSA-N
MW396.41 g/mol
LogP1.07
Rot. Bonds7

About 4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide

4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide (PubChem CID 55601488) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
PubChem CID55601488
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)cc1OC
InChIInChI=1S/C19H20N6O4/c1-3-29-16-9-6-14(11-17(16)28-2)19(27)22-21-18(26)10-13-4-7-15(8-5-13)25-12-20-23-24-25/h4-9,11-12H,3,10H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyJXYRZCFZLGIFNV-UHFFFAOYSA-N
XLogP1.07
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178
4-ethoxy-3-methoxy-N'-(2-naphthalen-2-ylacetyl)benzohydrazide
CID 9439837
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 32651524
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide
CID 34250355
4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668
N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934164
N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 9090512
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide?
The IUPAC name of 4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide (CID 55601488) is 4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide?
The canonical SMILES for 4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide?
The InChIKey is JXYRZCFZLGIFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-3-29-16-9-6-14(11-17(16)28-2)19(27)22-21-18(26)10-13-4-7-15(8-5-13)25-12-20-23-24-25/h4-9,11-12H,3,10H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide?
4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide has a molecular weight of 396.41 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide is sourced from PubChem (CID 55601488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).